Synthesis,Crystal Structure,and Rotational Energy Profile of 3-Cyclopropyl-1,2,4-benzotriazine 1,4-Di-<Emphasis Type="Italic">N</Emphasis>-oxide

Abstract  

1,2,4-Benzotriazine 1,4-di-N-oxides are potent antitumor drug candidates that undergo in vivo bioreduction leading to selective DNA damage in the low oxygen (hypoxic) cells found in tumors. Tirapazamine (TPZ) is the lead compound in this family. Here we report on the synthesis, crystal structure, and conformational analysis of a new analog, 3-cyclopropyl-1,2,4-benzotriazine 1,4-di-N-oxide (3). Compound 3 (C₁₀H₁₀N₃O₂) crystallized in the monoclinic space group C2/c. Unit cell parameters for 3: a = 16.6306 (12), b = 7.799 (5), c = 16.0113 (11) ?, α = 90, β = 119.0440 (10), γ = 90, and z = 8.     

Anomalous lattice dynamics near the ferroelectric instability in PbTe

A recent report of highly unusual ferroelectric fluctuations in PbTe by E. S. Bo?in et al. [Science 330, 1660 (2010)] raises fundamental questions about the nature of underlying lattice dynamics. We show by first-principles calculations that the reported results can be attributed to abnormally large-amplitude thermal vibrations that stem from a delicate competition of dual ionicity and covalency, which puts PbTe near ferroelectric instability. It produces anomalous properties such as partially localized low-frequency phonon modes, a soft transverse optical phonon mode, and a positive temperature coefficient for the band gap. These results account for experimental findings and resolve the underlying atomistic mechanisms, which have broad implications for materials near dynamic instabilities.     

类氖钛X射线激光实验研究

在“星光”装置上采用预脉冲技术和透-反射线聚焦系统成功地进行了类氛钛x射线激光实验.测量了TiXⅢ,3s-3p,J=0～1激光线的增益系数.首次实验研究了预脉冲能量不同时,激光线强度随泵浦激光能量的变化及其发散角和偏转角.     

On the singularity of Green's tensor for a perfectly conducting semi-infinite cone

This paper is intended to clarify a misunderstanding concerningthe source singularity of the electric Green's tensor for aperfectly conducting semi-infinite cone of circular cross-section.Tai's series expansion of the Green's tensor is known to lacka singular term at the source region. Jones has reconstructedthe solution to this problem and has pointed out the differencebetween his result and that of Tai. The aim of our paper isto demonstrate that, although Jones's closed-form solution iscorrect, there is a mistake in his comparison with Tai's seriessolution. We conclude that one of the two additional singularterms that Jones claims as missing from Tai's formula must beomitted. Besides, we compare Jones's closed-form solution withSmyshlyaev's solution to the very same problem. We concludethat the magnetic field expressions given by Jones and Smyshlyaevcoincide, but a singular term is missing from Smyshlyaev's expressionfor the electric field.     

On Convergence Approach Spaces

The extension of two axioms due to Cook and Fischer to the category CAP of convergence approach spaces leads to the study of non-Archimedean approach spaces as well as two versions of regularity appropriate to CAP and related categories.     

On the limiting profile arising from orthonormalizing shifts of exponentially decaying functions

It is shown that, under certain conditions, orthonormalizingthe positive integer shifts of an exponentially decaying functionon the half line by the Gram-Schmidt process leads to a limitingprofile given by orthonormalizing all their integer shifts onthe whole line. These results derive from properties of Choleskyfactorization of bi-infinite and semi-infinite matrices. Anexample is provided by the negative exponential function andconjectures are given, supported by numerical evidence, forthe Gaussian and Lorentz function.     

Algorithms for fully automated three-dimensional particle tracking velocimetry

A three-dimensional Particle Tracking Velocimetry (3-D PTV) technique has been developed to provide time-resolved, three-dimensional velocity field measurements throughout a finite volume. This technique offers many advantages for fundamental research in turbulence and applied research in areas such as mixing and combustion. The data acquired in 3-D PTV is a time sequence of stereo images of flow tracer particles suspended in the fluid. In this paper, the implementation of the technique is discussed in detail, as well as the results of an extensive statistical investigation of the performance of the algorithms. The technique has been optimized to allow fully automatic processing of long sequences of image pairs in a computationally efficient manner, hereby providing a viable, practical tool for the study of complex flows.List of symbols x, y, z Particle position - u, v, w Particle velocity This work was supported by a grant from Ford Motor Company, Powertrain Research Department. Their support is gratefully acknowledged.